55912-20-4

4-氯-3-硝基苯甲醇(55912-20-4)Raman光谱

产品名称:4-氯-3-硝基苯甲醇

CAS:55912-20-4

分子式:C7H6ClNO3

分子量: 187.58

InChI:InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2

InChIKey: QLLRQJDSYJIXTN-UHFFFAOYSA-N

Smiles:C1(CO)=CC=C(Cl)C([N+]([O-])=O)=C1

Mass

MS-NW-7797          
4-chloro-3-nitrobenzyl alcohol
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.1
      26.0       1.5
      27.0       8.2
      28.0       6.7
      29.0      13.8
      30.0      13.1
      31.0      21.0
      36.0       1.5
      37.0       4.9
      38.0       6.3
      39.0      18.2
      40.0       1.8
      43.0       1.4
      46.0       1.9
      49.0       2.7
      50.0      20.5
      51.0      53.7
      52.0       8.4
      53.0       4.0
      55.0       4.2
      61.0       5.1
      62.0       8.8
      63.0      17.8
      64.0       3.0
      65.0      22.7
      66.0       4.4
      72.0       1.7
      73.0      11.9
      74.0      16.1
      75.0      44.4
      76.0       8.9
      77.0     100.0
      78.0      27.2
      79.0       2.3
      84.0       3.7
      85.0       5.1
      86.0       3.1
      87.0       5.3
      88.0       1.9
      89.0      10.9
      90.0       2.8
      93.0       2.7
      94.0       6.6
      97.0       3.3
      99.0       3.7
     100.0       1.8
     101.0       2.5
     104.0      11.5
     105.0      12.9
     106.0       5.5
     107.0       1.3
     109.0       1.5
     110.0       6.9
     111.0      40.4
     112.0      24.3
     113.0      16.8
     114.0       7.3
     115.0       1.9
     121.0       3.7
     122.0       1.0
     123.0      50.3
     124.0      24.7
     125.0      18.8
     126.0       4.4
     127.0       1.0
     128.0       2.4
     130.0       1.0
     134.0       1.3
     138.0       2.0
     139.0      14.6
     140.0      35.6
     141.0      50.0
     142.0      30.9
     143.0      16.0
     144.0       6.8
     152.0      43.7
     153.0       4.0
     155.0       1.5
     157.0       1.7
     158.0      12.2
     159.0       1.4
     160.0       3.9
     169.0       1.7
     170.0      19.0
     171.0       5.0
     172.0       6.7
     173.0       1.4
     184.0       1.5
     186.0      13.1
     187.0      97.9
     188.0      13.3
     189.0      32.6
     190.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl N O₃	0.043 g : 0.5 ml CDCl₃
4-chloro-3-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.874
      B             7.51
      C             7.50
      D             4.755
      E             2.46

     Hz     ppm     Int.

   3147.71   7.877    395
   3146.97   7.875    445
   3146.00   7.872    403
   3145.26   7.871    346
   3010.50   7.533    129
   3009.89   7.532    144
   3007.69   7.526     45
   3002.20   7.513   1000
   3001.59   7.511    872
   3000.85   7.509    462
   3000.37   7.508    579
   2999.76   7.506    392
   2999.15   7.505    367
   2998.54   7.503    512
   2992.07   7.487     70
   2991.46   7.486     54
   2990.84   7.484     52
   2990.23   7.483     84
   2989.75   7.481     52
   1901.98   4.760    403
   1899.17   4.753    391
    984.62   2.464    155

in CDCl3